1,3-Dihydro-1-[2-(trifluoromethyl)phenyl]-2H-imidazole-2-thione

C₁₀H₇F₃N₂SCAS 25372-17-2244.24 g/mol

Open in Covalent MOL file

Alkyl halide Thiol

Properties

Molecular formula: C₁₀H₇F₃N₂S
Molar mass: 244.24 g/mol
Exact mass: 244.0282 Da
logP: 3.18Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

25372-17-2

SMILES

FC(F)(F)c1ccccc1-n1ccnc1S

InChIKey

SHEVDRLIPIJLJW-UHFFFAOYSA-N

InChI

InChI=1S/C10H7F3N2S/c11-10(12,13)7-3-1-2-4-8(7)15-6-5-14-9(15)16/h1-6H,(H,14,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

2H-Imidazole-2-thione, 1,3-dihydro-1-[2-(trifluoromethyl)phenyl]-
Imidazole-2-thiol, 1-(α,α,α-trifluoro-o-tolyl)-
1-[2-(Trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazole-2-thione

Work with 1,3-Dihydro-1-[2-(trifluoromethyl)phenyl]-2H-imidazole-2-thione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dihydro-1-phenyl-2H-imidazole-2-thione17452-09-451 % similar Trim25371-96-449 % similar 2-(Trifluoromethyl)benzenethiol13333-97-644 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-140 % similar 1,2-Bis(trifluoromethyl)benzene433-95-439 % similar 2-Chlorobenzotrifluoride88-16-437 % similar 2-Chloro-3-(trifluoromethyl)pyridine65753-47-137 % similar 4-Chloro-8-(trifluoromethyl)quinoline23779-97-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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